药物科学的机器学习

de Azevedo Jr. Walter F.
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摘要

人工智能(AI)以越来越大的影响力占据了日常新闻。计算能力的快速增长和利用这种计算能力的算法的快速发展,描绘了关于人工智能的信息雪崩的完美场景。药物科学也不能幸免于这种影响,许多药物发现项目都采用了人工智能。在PubMed上以“人工智能”和“药物发现”作为字符串进行搜索,得到截至2022年(2023年1月23日)的1149篇论文。直方图如图1所示。该图显示了2018年之后出版物的快速增长。
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Machine learning for drug science
Artificial intelligence (AI) has taken the daily news with increasing impact. The crescent growth of computational power and the rapid development of algorithms to harness this computational capacity delineate the perfect scenario for this avalanche of information about AI. Drug science is not immune to this influence, and many drug discovery projects employ AI. A search on PubMed using as strings “artificial intelligence” and “drug discovery” returned 1,149 publications up to 2022 (January 23, 2023). The histogram is shown Figure 1. The plot indicates a rapid increase in publications after 2018.
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